Forodesine

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Properties Simple | Detailed

Formula C11H14N4O4
IUPAC Name 7-[(2s,3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1,6-dihydropyrrolo[3,2-d]pyrimidine-3,5-diium-6-ylium-4-one
Molecular Mass 266.253 g·mol−1
Heat of Formation -543.1 ± 16.7 kJ·mol−1
Dipole Moment 3.78 ± 1.08 D
Volume 289.46 Å 3
Surface Area 262.85 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-dideoxy-4-aza-1-(s)-(9-deazahypoxanthin-9-yl)-d-ribitol
  • 7-[(2s,3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)-2-pyrrolidinyl]-1,5-dihydropyrrolo[2,3-e]pyrimidin-4-one
  • 7-[(2s,3s,4r,5r)-3,4-dihydroxy-5-(hydroxymethyl)pyrrolidin-2-yl]-1,5-dihydropyrrolo[2,3-e]pyrimidin-4-one
  • 7-[(2s,3s,4r,5r)-3,4-dihydroxy-5-methylol-pyrrolidin-2-yl]-1,5-dihydropyrrolo[2,3-e]pyrimidin-4-one
  • d06596
  • forodesine (usan)
  • imh
  • immucillin h
InChIKey IWKXDMQDITUYRK-KUBHLMPHSA-N
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